Titlebook: Interatomic Potential and Structural Stability; Proceedings of the 1 Kiyoyuki Terakura,Hisazumi Akai Conference proceedings 1993 Springer-V

Dislocation

空中

Atomic and Electronic Structure of Some Exotic Surfaces Revealed by Scanning Tunneling Microscopy Angstroms is clarified and it is discussed how the atomic structure of the tip influences the STM image. Case studies show that naive interpretation of the STM image sometimes fails. Exotic phenomena such as transparency of the adsorbed molecule and a moire pattern formation are discussed.

Albumin

HAWK

Introductionogress in modern high-performance computers. As for the latter, although the performance of a single processor is still being improved, parallel computing will become increasingly important. Williams discussed the parallel computing from various aspects. It may be interesting to cite some of the sub

Tdd526

flourish

GLOOM

Angular-Dependent Many-Atom Bond-Order Potentials modeling of the structural properties of materials. Explicit angular dependence of these potentials is naturally derived on the theoretical basis of the exact many-atom expansion theorem for the bond order. It is shown that a good convergence is achieved by satisfying a sum rule for the intersite G

胆大

Augmented-Plane-Wave Force Calculations for Transition-Metal Systemsion approximation and properties of the APW basis functions. The accuracy and consistency of the method are examined in a frozen-phonon calculation of bulk Si. The method is applied for structural optimization and phonon calculations of transition-metal systems such as Cu surfaces, ternary Cu oxide

铁塔等

分期付款

Conjugate-Gradient Total-Energy Minimization: Defects in Siliconhly efficient conjugate-gradient minimization technique is combined with the norm-conserving pseudo-potential momentum-space formalism, and enables us to perform large-scale calculations containing up to 216 atoms in a unit cell. The results provide rich information about the microscopic origins of